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Related Concept Videos

Activation Energy01:26

Activation Energy

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Activation energy is the minimum amount of energy necessary for a chemical reaction to move forward. The higher the activation energy, the slower the rate of the reaction. However, adding heat to the reaction will increase the rate, since it causes molecules to move faster and increase the likelihood that molecules will collide. The collision and breaking of bonds represents the uphill phase of a reaction and generates the transition state. The transition state is an unstable high-energy state...
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Energy Bands in Solids01:01

Energy Bands in Solids

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Isolated atoms have discrete energy levels that are well described by the Bohr model. And, it quantifies the energy of an electron in a hydrogen atom as En. Higher quantum numbers 'n' yield less negative, closer electron energy levels.
 Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states...
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Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Diffusion01:12

Diffusion

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Diffusion is the passive movement of substances down their concentration gradients—requiring no expenditure of cellular energy. Substances, such as molecules or ions, diffuse from an area of high concentration to an area of low concentration in the cytosol or across membranes. Eventually, the concentration will even out, with the substance moving randomly but causing no net change in concentration. Such a state is called dynamic equilibrium, which is essential for maintaining overall...
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Bond Dissociation Energy and Activation Energy02:13

Bond Dissociation Energy and Activation Energy

11.3K
Bond energy is the energy required to break a bond homolytically. These values are usually expressed in units of kcal/mol or kJ/mol and are referred to as bond dissociation energies when given for specific bonds or average bond energies when indicated for a given type of bond over many compounds. Firstly, the bond dissociation energy for a single bond is weaker than that of a double bond, which in turn is weaker than that of a triple bond. Secondly, hydrogen forms relatively strong bonds with...
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Enzymes and Activation Energy01:13

Enzymes and Activation Energy

24.0K
The activation energy (or free energy of activation), abbreviated as Ea, is the small amount of energy input necessary for all chemical reactions to occur. During chemical reactions, certain chemical bonds break, and new ones form. For example, when a glucose molecule breaks down, bonds between the molecule's carbon atoms break. Since these are energy-storing bonds, they release energy when broken. However, the molecule must be somewhat contorted to get into a state that allows the bonds to...
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Author Spotlight: Magnetometric Characterization of Intermediates in the Solid-State Electrochemistry of Redox-Active Metal-Organic Frameworks
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Correlation between conductivity or diffusivity and activation energy in amorphous solids.

Manju Sharma1, S Yashonath

  • 1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India.

The Journal of Chemical Physics
|December 3, 2008
PubMed
Summary
This summary is machine-generated.

Ionic conductivity in glasses is linked to activation energy. Molecular dynamics simulations reveal an optimal impurity size that maximizes self-diffusivity and minimizes activation energy, explaining this correlation.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Ionic transport in glasses shows a correlation between conductivity and activation energy.
  • Existing explanations for this correlation are phenomenological, lacking a consistent physical basis.
  • Understanding this relationship is crucial for designing advanced glass materials.

Purpose of the Study:

  • To investigate the relationship between impurity size and ionic transport in amorphous materials.
  • To elucidate the physical mechanism behind the correlation between ionic conductivity and activation energy.
  • To establish a link between microscopic structure, diffusivity, and activation energy.

Main Methods:

  • Molecular dynamics simulations were performed on a host amorphous matrix.
  • Simulations varied the size of neutral and charged impurity atoms (diffusants).
  • Self-diffusivity and activation energy were analyzed as a function of impurity size.

Main Results:

  • A maximum in self-diffusivity was observed at an optimal impurity size.
  • The activation energy was found to be minimal for this optimal impurity size.
  • The levitation effect explains this maximum, relating diffusivity to the size of the 'neck' or doorway radius.

Conclusions:

  • The study provides a physical picture for the conductivity-activation energy correlation in glasses.
  • Microscopic structural features, specifically the interplay between diffusant size and doorway size, are critical.
  • Computational findings align with experimental data, emphasizing the role of glass structure in ionic conductivity.